N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide

C10H13FN2O3S — CID 65375225

IUPACN-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCCN(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C10H13FN2O3S/c1-3-13(2)10(14)7-4-8(11)6-9(5-7)17(12,15)16/h4-6H,3H2,1-2H3,(H2,12,15,16)
InChIKeyFHCRRNFHZAGNSD-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.56
Rot. Bonds3

About N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide

N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide (PubChem CID 65375225) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
PubChem CID65375225
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC NameN-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCCN(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C10H13FN2O3S/c1-3-13(2)10(14)7-4-8(11)6-9(5-7)17(12,15)16/h4-6H,3H2,1-2H3,(H2,12,15,16)
InChIKeyFHCRRNFHZAGNSD-UHFFFAOYSA-N
XLogP0.56
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387256
N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
3-[2-ethoxyethyl(methyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 81074339
3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride
CID 79846258
3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide
CID 65387565
3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81074001
3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide
CID 65389265
N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide
CID 65375226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide (CID 65375225) is N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide is CCN(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The InChIKey is FHCRRNFHZAGNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-3-13(2)10(14)7-4-8(11)6-9(5-7)17(12,15)16/h4-6H,3H2,1-2H3,(H2,12,15,16).
What are the key properties of N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide has a molecular weight of 260.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65375225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).